4H-3,1-Benzoxazin-2,4(1H)-dion
Isatoic Anhydride
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Grundinformationen
- CAS
118-48-9- Standard-SMILES
O=c1[nH]c2ccccc2c(=O)o1- InChIKey
TXJUTRJFNRYTHH-UHFFFAOYSA-N- Summenformel
- C8H5NO3
- Durchschnittliche Molmasse
- 163,13 g/mol
- Monoisotopische Masse
- 163,02694302
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- Isatoic Anhydride
- IUPAC
- 1H-3,1-benzoxazine-2,4-dione
- Lokaler Name
- 4H-3,1-Benzoxazin-2,4(1H)-dion
- Englischer Name
- Isatoic Anhydride
- Summenformel
- C8H5NO3
- Molmasse
- 163.13
Namen und Synonyme
Isatoic anhydride118-48-92H-3,1-Benzoxazine-2,4(1H)-dioneISATOIC ACID ANHYDRIDE4H-3,1-Benzoxazine-2,4(1H)-dioneN-Carboxyanthranilic anhydrideDTXSID60269553,1-Benzoxazine-2,4(1H)-dioneAnthranilic acid, N-carboxy-, cyclic anhydrideBenzoic acid, 2-(carboxyamino)-, cyclic anhydrideR8TFA74Y4U2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
Weitere Namen anzeigen
1H-BENZO[D][1,3]OXAZINE-2,4-DIONEIsatoic2-(carboxyamino)-benzoicacicyclicanhydrideBENZOXAZINEDIONE4H-3Isatoic Ac4(1H)-dione
1,2-dihydro-3,1-benzoxazine-2,4-dioneNSC-295551h-benz(d)(1,3)oxazine-2,4-dioneNSC-104662DTXCID9069552,4-dioxo-1,2-dihydro-4h-3,1-benzoxazineRefChem:791499204-255-0
Datenbank-Bezeichner
- CAS
118-48-9- PubChem CID
- 8359
- DTXSID
DTXSID6026955- ChEMBL
CHEMBL1235999、CHEMBL346059- UNII
- R8TFA74Y4U
- EC Number
- 204-255-0
- Nikkaji
- J5.526C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 55,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 226
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesChemical shift
Color/Form
PRISM FROM ALC OR GLACIAL ACETIC ACID; CRYSTALS FROM ALCOHOL OR DIOXANE
TAN POWDER
SolubilityMISCIBLE IN WATER, HOT ALC, AND ACETONE; INSOL IN ETHER, BENZENE, AND CHLOROFORM
Melting Point243 °C WITH DECOMPOSITION
Physical Description
Dry Powder
Tan solid; [Hawley] Grey powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 233 °C · 233 °C (dec.) (lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 5.2% (11 of 210) of reports.
Warning
H317 (94.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Gefahrenhinweise
Regulatory Information
Chemical: 2H-3,1-Benzoxazine-2,4(1H)-dione
2H-3,1-Benzoxazine-2,4(1H)-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-3,1-Benzoxazine-2,4(1H)-dione are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Status: Active Update: 25-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18515
Isatoic anhydride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; May cause skin sensitization; [eChemPortal: ESIS] Danger of skin sensitization; [MAK] An irritant; May cause skin sensitization; [MSDSonline] See ACID ANHYDRIDES.
Hazard Classes and Categories
Skin Sens. 1 (94.8%)
Eye irritation - category 2
Eye Irrit. 2
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationEndogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES.
Verwendung und Herstellung
Uses
Used to make polymer curing agents, anthranilic esters, heterocyclic compounds, benzyne, saccharin, methyl anthranilate, and pesticides; Also used as a corrosion inhibitor in engine lubricants and as a modifier of natural and synthetic polymers and resins; [HSDB]
Plastic Composites Manufacturing [Category: Industry]
INTERMEDIATE FOR POLYMER CURING AGENTS, ANTHRANILIC ESTERS, HETEROCYCLIC COMPD, & BENZYNE
CHEM INT FOR SACCHARIN, METHYL ANTHRANILATE, PESTICIDES (EG, GUTHION); CORROSION INHIBITOR IN ENGINE LUBRICANTS; MODIFIER OF NATURAL & SYNTHETIC POLYMERS & RESINS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2023: 100,000 - <250,000 lb
(1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Industry UsesIntermediate
Methods of ManufacturingPASSING PHOSGENE INTO A SOLUTION OF ANTHRANILIC ACID IN AQUEOUS HYDROCHLORIC ACID
Formulations/PreparationsGRADE: TECHNICAL, 96% MIN
General Manufacturing Information
Not Known or Reasonably Ascertainable
2H-3,1-Benzoxazine-2,4(1H)-dione: ACTIVE
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